- InChI
- InChI=1S/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3
- InChI Key
- JOUWCKCVTDSMHF-UHFFFAOYSA-N
- Formula
- C5H11Br
- SMILES
- CCC(C)(C)Br
- Molecular Weight1
- 151.04
- CAS
- 507-36-8
- Other Names
-
- 2-Bromo-2-methylbutane
- 2-Methyl-2-bromobutane
- tert-Amyl bromide
- tert-Pentyl bromide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2976 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.570 | Crippen Calculated Property | |
| McVol | 98.810 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Inp | [734.00; 750.00] |
|
|
| Inp | 750.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 734.00 | NIST | |
| Ip | [925.00; 939.00] |
|
|
| Ip | 937.00 | NIST | |
| Ip | 939.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 937.00 | NIST | |
| Tboil | 380.00 | K | NIST |
| Tc | 581.71 | K | Relay (1.0) Calculated Property |
| Tfus | 180.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 36.40 | kJ/mol | 358.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.20 | K | 98.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.08; 287.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.79390e+01 | |||
| Coefficient B | 6.42860e-01 | |||
| Coefficient C | -4.91400e-04 | |||
| Coefficient D | 1.54300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 181.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 203.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 223.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 239.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 254.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 266.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 277.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 287.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0067392; 0.0003275] | Pa×s | [208.33; 402.36] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12714e+01 | |||
| Coefficient B | 1.30656e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 208.33 | |||
| Temperature range, max. | 402.36 | |||
| η | 0.0067392 | Pa×s | 208.33 | Calculated Property |
| η | 0.0037427 | Pa×s | 229.89 | Calculated Property |
| η | 0.0022991 | Pa×s | 251.45 | Calculated Property |
| η | 0.0015253 | Pa×s | 273.01 | Calculated Property |
| η | 0.0010746 | Pa×s | 294.56 | Calculated Property |
| η | 0.0007941 | Pa×s | 316.12 | Calculated Property |
| η | 0.0006099 | Pa×s | 337.68 | Calculated Property |
| η | 0.0004835 | Pa×s | 359.24 | Calculated Property |
| η | 0.0003936 | Pa×s | 380.80 | Calculated Property |
| η | 0.0003275 | Pa×s | 402.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [286.63; 403.99] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36146e+01 | |||
| Coefficient B | -2.58477e+03 | |||
| Coefficient C | -9.26850e+01 | |||
| Temperature range, min. | 286.63 | |||
| Temperature range, max. | 403.99 | |||
| Pvap | 1.33 | kPa | 286.63 | Calculated Property |
| Pvap | 3.09 | kPa | 299.67 | Calculated Property |
| Pvap | 6.47 | kPa | 312.71 | Calculated Property |
| Pvap | 12.48 | kPa | 325.75 | Calculated Property |
| Pvap | 22.46 | kPa | 338.79 | Calculated Property |
| Pvap | 38.11 | kPa | 351.83 | Calculated Property |
| Pvap | 61.45 | kPa | 364.87 | Calculated Property |
| Pvap | 94.86 | kPa | 377.91 | Calculated Property |
| Pvap | 140.98 | kPa | 390.95 | Calculated Property |
| Pvap | 202.68 | kPa | 403.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-bromo-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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